3-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl ethanoate

Systemtic Name: 3-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl ethanoate Openeye Name: 3-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate CAS Name: acetic acid 3-[[7-(cyclohexylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ester IUPAC Name: 3-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propyl acetate Traditional Name: acetic acid 3-[[7-(cyclohexylthio)-4-nitro-benzofurazan-5-yl]amino]propyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5S/c1-11(22)25-9-5-8-18-13-10-14(27-12-6-3-2-4-7-12)15-16(20-26-19-15)17(13)21(23)24/h10,12,18H,2-9H2,1H3